125954

二氯乙腈

98%

• 同義詞: 2,2-Dichloroacetonitrile, Dichloromethyl cyanide
• 線性公式: Cl₂CHCN
• CAS號碼: 3018-12-0
• 分子量：: 109.94
• Beilstein: 1739029
• EC號碼: 221-159-4
• MDL號碼: MFCD00040886
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24847689
• NACRES: NA.22

屬性

• 品質等級: 100
• 化驗: 98%
• 形狀: liquid
• 折射率: n20/D 1.44 (lit.)
• bp: 110-112 °C (lit.)
• 密度: 1.369 g/mL at 25 °C (lit.)
• SMILES 字串: ClC(Cl)C#N
• InChI: 1S/C2HCl2N/c3-2(4)1-5/h2H
• InChI 密鑰: STZZWJCGRKXEFF-UHFFFAOYSA-N

描述

應用

Dichloroacetonitrile can be used as a reactant to prepare:

• Chiral α, α-dichloro-β-aminonitriles via Pd-catalyzed enantioselective Mannich-type reaction with imines.
• α, α-dialkyl-substituted nitriles by an alkylation reaction with trialkylboranes in the presence of phenoxide base as a base.
• Halogenated pyridines via copper-catalyzed reaction with methacrolein.
• α,α-dichloro-β-hydroxy nitriles by condensation reaction with aldehydes and ketones in the presence of an alkoxide base.
• Selenium heterocycle derivatives via Diels–Alder cyclization with selenoaldehydes.
• Dichloroacetonitrile can also be used to develop an efficient method for the extraction and determination of common volatile halogenated disinfection by-products using the static headspace technique coupled with gas chromatography-mass spectrometry.

生化／生理作用

Dichloroacetonitrile is direct-acting mutagen and induces DNA strand breaks in cultured human lymphoblastic cells. It induces apoptosis or necrosis in murine macrophage cell line via reactive oxygen intermediates-mediated oxidative mechanisms of cellular damage.

安全資訊

• 象形圖: GHS02,GHS05,GHS07
• 訊號詞: Danger
• 危險聲明: H226,H302,H314
• 防範說明: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• 危險分類: Acute Tox. 4 Oral - Flam. Liq. 3 - Skin Corr. 1B
• 儲存類別代碼: 3 - Flammable liquids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: 96.8 °F - closed cup
• 閃點（°C）: 36 °C - closed cup
• 個人防護裝備: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter